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Chemical ID: 4676103
Chemical ID:
4676103
Name [?]:
[4-[4-(4-benzoylphenyl)butyl]phenyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)c2ccc(cc2)CCCCc3ccc(cc3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C30H26O2/c31-29(25-11-3-1-4-12-25)27-19-15-23(16-20-27)9-7-8-10-24-17-21-28(22-18-24)30(32)26-13-5-2-6-14-26/h1-6,11-22H,7-10H2
InChi Info:
AuxInfo=1/0/N:1,30,2,6,29,31,16,17,15,18,3,5,28,32,11,13,20,24,10,14,21,23,12,19,4,27,9,22,7,25,8,26/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12,13,14)(15,16,17,18)(19,20,21,22)(23,24)(25,26)(27,28)(29,30)(31,32)/rA:32nCCCCCCCOCCCCCCCCCCCCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;d10;s11;d12;d9s13;s12;s15;s16;s17;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H26O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5879 |
Area: | 701.341 |
Solvation: | -2.94564 |
Coulombic: | -24.6705 |
Bond Count [?]
All: | 35 |
Single: | 21 |
Double: | 14 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 418.526 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 8.61 |
LogP (Chemaxon): | 7.76 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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